N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide

C24H24N2O7 — CID 57414005

IUPACN-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
SMILESO=C(Nc1ccncc1)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1
InChIInChI=1S/C24H24N2O7/c27-13-19-20(28)21(29)22(30)24(33-19)32-18-6-4-14(5-7-18)15-2-1-3-16(12-15)23(31)26-17-8-10-25-11-9-17/h1-12,19-22,24,27-30H,13H2,(H,25,26,31)/t19-,20-,21+,22+,24+/m1/s1
InChIKeyYKYSXKNNWLACPL-NTYLBUJVSA-N
MW452.46 g/mol
LogP1.18
Rot. Bonds6

About N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide

N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide (PubChem CID 57414005) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
PubChem CID57414005
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC NameN-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
SMILESO=C(Nc1ccncc1)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1
InChIInChI=1S/C24H24N2O7/c27-13-19-20(28)21(29)22(30)24(33-19)32-18-6-4-14(5-7-18)15-2-1-3-16(12-15)23(31)26-17-8-10-25-11-9-17/h1-12,19-22,24,27-30H,13H2,(H,25,26,31)/t19-,20-,21+,22+,24+/m1/s1
InChIKeyYKYSXKNNWLACPL-NTYLBUJVSA-N
XLogP1.18
TPSA141.37 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
The IUPAC name of N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide (CID 57414005) is N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide is O=C(Nc1ccncc1)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1.
What is the InChIKey of N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
The InChIKey is YKYSXKNNWLACPL-NTYLBUJVSA-N. The full InChI is InChI=1S/C24H24N2O7/c27-13-19-20(28)21(29)22(30)24(33-19)32-18-6-4-14(5-7-18)15-2-1-3-16(12-15)23(31)26-17-8-10-25-11-9-17/h1-12,19-22,24,27-30H,13H2,(H,25,26,31)/t19-,20-,21+,22+,24+/m1/s1.
What are the key properties of N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide has a molecular weight of 452.46 g/mol, XLogP of 1.18, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 57414005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).